A Bayesian inference network (BIN) provides an interesting alternative to existing tools for
similarity-based virtual screening. The BIN is particularly effective when the active molecules …

Many of the conventional similarity methods assume that molecular fragments that do not
relate to biological activity carry the same weight as the important ones. One possible …

Recently, the use of the Bayesian network as an alternative to existing tools for similarity-
based virtual screening has received noticeable attention from researchers in the …

Many of the similarity‐based virtual screening approaches assume that molecular fragments
that are not related to the biological activity carry the same weight as the important ones …

An inference network model for molecular similarity searching: The similarity search problem
is modeled using inference or evidential reasoning under uncertainty. The inference network …

Background Data fusion methods are widely used in virtual screening, and make the implicit
assumption that the more often a molecule is retrieved in multiple similarity searches, the …

In the current work, we measure the performance of seven ligand-based virtual screening
tools-five similarity search methods and two pharmacophore elucidators-against the MUV …

Background It is known that any individual similarity measure will not always give the best
recall of active molecule structure for all types of activity classes. Recently, the effectiveness …

This paper introduces a new consensus scoring approach for merging the results of different
virtual screening methods based on conditional probabilities. The technique is …

Four different ligand-based virtual screening scenarios are studied:(1) prioritizing
compounds for subsequent high-throughput screening (HTS);(2) selecting a predefined …